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Substance Name: Indeno(1,2,3-cd)pyrene
RN: 193-39-5
UNII: T4SWX8I0U2
InChIKey: SXQBHARYMNFBPS-UHFFFAOYSA-N

Molecular Formula

  • C22-H12

Molecular Weight

  • 276.3368
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 174
  • 2011 CERCLA Priority List, Rank: 173
  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 100 lb
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Names and Synonyms

Name of Substance

  • Indeno(1,2,3-cd)pyrene

Synonyms

  • 1,10-(1,2-Phenylene)pyrene
  • 1,10-(o-Phenylene)pyrene
  • 1,10-(ortho-Phenylene)pyrene
  • 2,3-o-Phenylenepyrene
  • 2,3-Phenylenepyrene
  • 4-05-00-02765 (Beilstein Handbook Reference)
  • BRN 1879312
  • CCRIS 345
  • EINECS 205-893-2
  • HSDB 5101
  • Indeno(1,2,3-cd)pyrene
  • Indenopyrene
  • o-Phenylenepyrene
  • RCRA waste number U137
  • UNII-T4SWX8I0U2

Systematic Name

  • Indeno(1,2,3-cd)pyrene

Superlist Names

  • 1,10-(1,2-Phenylene)pyrene
  • Indeno(1,2,3-cd)pyrene
  • Indeno(1,2,3-cd)pyrene [Polycyclic aromatic compounds]
  • Indeno(1,2,3-cd)pyrene [Polycyclic aromatic hydrocarbons]
  • RCRA waste no. U137

Registry Numbers

CAS Registry Number

  • 193-39-5

FDA UNII

  • T4SWX8I0U2

Other Registry Number

  • 348085-46-1

System Generated Number

  • 0000193395

Structure Descriptors

InChI

1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H

InChIKey

SXQBHARYMNFBPS-UHFFFAOYSA-N

Smiles

c12c3c4c5cccc4ccc3ccc2c2ccccc2c1c5

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 163.6 deg C   EXP
Boiling Point 536 deg C   EXP
log P (octanol-water) 6.700 (none)   EST
Water Solubility 1.90E-04 mg/L 25 EXP
Vapor Pressure 1.25E-10 mm Hg 25 EST
Henry's Law Constant 3.48E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 6.45E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.